Basic information
- CAS
67893-42-9- Standard SMILES
CCCCCCC(O)CC=CCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
REIVZOOGBSSPEG-UHFFFAOYSA-L- Molecular formula
- C24H41NNa2O9S
- Average molar mass
- 565.6 g/mol
- Monoisotopic mass
- 565.22974162
Overview
causes dermatitis; found in hand cleaner; RN refers to di-Na salt
Names & identifiers
- Preferred name
- Butanedioic acid, 2-sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecen-1-yl)amino)ethyl) ester, sodium salt (1:2)
- IUPAC
- disodium;4-[2-(12-hydroxyoctadec-9-enoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate
- English name
- disodium 4-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate
- Molecular formula
- C24H42NNa2O9S
- Molecular weight
- 566.63612
Names & synonyms
67893-42-9DTXSID208898794-(2-((12-Hydroxy-1-oxo-9-octadecenyl)amino)ethyl) ester-sulfobutanedioic acidButanedioic acid, sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecenyl)amino]ethyl] ester, disodium saltButanedioic acid, 2-sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecen-1-yl)amino)ethyl) ester, sodium salt (1:2)Butanedioic acid, sulfo-, 4-(2-((12-hydroxy-1-oxo-9-octadecenyl)amino)ethyl) ester, disodium saltButanedioic acid, 2-sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecen-1-yl)amino]ethyl] ester, sodium salt (1:2)RefChem:5710462-TEESCDTXCID5010314032-(ricinoleamido)ethyl ester sulfosuccinic acidQ4843X735L
Show more names
DISODIUMRICINOLEAMIDOMONOETHANOLAMIDOSULPHOSUCCINATESODIUMRICINOLEICMONOETHANOLAMIDOSULPHOSUCCINATEDERIV.DISODIUM4-([2-[12-HYDROXY-1-OXOOLEYL)-AMINO]ETHYL]SULPHOSUCCINATE4-[2-[(12-Hydroxy-1-oxo-9-octadecenyl)amino]ethyl] sulfobutanedioate, disodium saltButanedioic acid, sulfo-, 4-2-(12-hydroxy-1-oxo-9-octadecenyl)aminoethyl ester, disodium salt
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 713
Physicochemical properties
- Cosmetics Ingredients Functions
- CLEANSINGSURFACTANT - FOAM BOOSTINGSURFACTANT - CLEANSINGSURFACTANT - HYDROTROPESKIN CONDITIONING
- FDA UNII
- 4843 X735L · Q4843X735L
- EPA Substance Registry System
- 4 · Butanedioic acid, sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt (67893-42-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 72.7% (104 of 143) of all reports.
Warning
H315 (26.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 143 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt
Butanedioic acid, sulfo-, 4-[2-[(12-hydroxy-1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (26.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-sulfo-, 4-[2-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]ethyl] ester, sodium salt (1:2): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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